Home Halogens Benzene, 1,2,3-trichloro-4-isothiocyanato-

Benzene, 1,2,3-trichloro-4-isothiocyanato-

CAS No.:
127142-69-2
Catalog Number:
AG000WPK
Molecular Formula:
C7H2Cl3NS
Molecular Weight:
238.5215
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000WPK
Chemical Name:
Benzene, 1,2,3-trichloro-4-isothiocyanato-
CAS Number:
127142-69-2
Molecular Formula:
C7H2Cl3NS
Molecular Weight:
238.5215
MDL Number:
MFCD00041049
IUPAC Name:
1,2,3-trichloro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Cl3NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChI Key:
NUAGIDXAYVLNEG-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1Cl)Cl)Cl
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.897g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.51g/mol
Monoisotopic Mass:
236.897g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties